1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile

C10H8F2N2 — CID 58686799

IUPAC1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(F)(F)CC2N
InChIInChI=1S/C10H8F2N2/c11-10(12)4-9(14)7-2-1-6(5-13)3-8(7)10/h1-3,9H,4,14H2
InChIKeyCAXKQNIDBJFKQO-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.05
Rot. Bonds

About 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile

1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile (PubChem CID 58686799) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile.

Molecular Properties

Compound Name1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile
PubChem CID58686799
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(F)(F)CC2N
InChIInChI=1S/C10H8F2N2/c11-10(12)4-9(14)7-2-1-6(5-13)3-8(7)10/h1-3,9H,4,14H2
InChIKeyCAXKQNIDBJFKQO-UHFFFAOYSA-N
XLogP2.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile?
The IUPAC name of 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile (CID 58686799) is 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile.
What is the SMILES notation for 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile?
The canonical SMILES for 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile is N#Cc1ccc2c(c1)C(F)(F)CC2N.
What is the InChIKey of 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile?
The InChIKey is CAXKQNIDBJFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-10(12)4-9(14)7-2-1-6(5-13)3-8(7)10/h1-3,9H,4,14H2.
What are the key properties of 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile?
1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile has a molecular weight of 194.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile is sourced from PubChem (CID 58686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).